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Molecule Identifiers
Molecular Properties

ID: 79234

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.881

InChIKey:
NARKNZQTZXHZMI-UHFFFAOYSA-N

ID: 79235

SMILES:
C1CCC2Cc3c(O)cc(CCC(O)CC)c(C=O)c3OC12C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -12.813

InChIKey:
PLZCTRUANWYGFN-UHFFFAOYSA-N

ID: 79236

SMILES:
c1(O)cc(CCCCC)c(C2C=C(C)CCC2C(=C)C)c(O)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.177

InChIKey:
MMFSWLMRLDRHQC-UHFFFAOYSA-N

ID: 79237

SMILES:
C1CC(O)(C)C2C1C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -16.218

InChIKey:
OETIPCSFBZREHY-UHFFFAOYSA-N

ID: 79238

SMILES:
C1CC(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.514

CB1 binding score: -16.929

InChIKey:
RATBVXZMDHULMH-UHFFFAOYSA-N

ID: 79239

SMILES:
C1CCC(C)(C)C(c2cc(CCCCC)ccc2)=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.46

CB1 binding score: -15.787

InChIKey:
CUBIYKZLFUVHQV-UHFFFAOYSA-N

ID: 79240

SMILES:
c1(CCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 79241

SMILES:
COc1cc(O)ccc1C1C(C2(C)C(C(C)=C)CC(=C(COC)C)C(CCCO)C2)OC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.595

CB1 binding score: -15.158

InChIKey:
OLJQPMPYSCWIAS-UHFFFAOYSA-N

ID: 79242

SMILES:
c1(CCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 79243

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2(O)C=C(C)CC1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.677

InChIKey:
GXFIKGALJLLKOL-UHFFFAOYSA-N

ID: 79244

SMILES:
c12c(c(=O)c(CC(C)C)c(O)cc1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.703

InChIKey:
JPIRISVEKKMDAI-UHFFFAOYSA-N

ID: 79245

SMILES:
c1(O)cc(O)c(C(CC(C)C)=O)c2c1C1C(C(C)(C)O2)CC=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.151

InChIKey:
OFGWLTOADDCROB-UHFFFAOYSA-N

ID: 79246

SMILES:
CC(C)=CC1Oc2cc(CCCCC)c(C(OC)=O)c(O)c2C2CC3(C(C)C)OC3C2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -13.837

InChIKey:
WRCRCUBCFFFGHG-UHFFFAOYSA-N

ID: 79247

SMILES:
C(C1=C(O)C2(O)C3(C(C(C)(C)CCC3)C1=O)Oc1c(cccc1)C2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -12.744

InChIKey:
CQDVMERWYLJDLS-UHFFFAOYSA-N

ID: 79248

SMILES:
Cc1c(CO)c2c(cc1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.06

InChIKey:
REDIVICZPKNBFO-UHFFFAOYSA-N

ID: 79249

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 79250

SMILES:
CCC(C)C(C=Cc1ccc(O)c2c1OC(C)(C)C1C2CC(C)=CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.638

InChIKey:
WTMUKMCVAANOBD-UHFFFAOYSA-N

ID: 79251

SMILES:
C(CCC)C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.329

InChIKey:
DCBPFAPCAJSBQC-UHFFFAOYSA-N

ID: 79252

SMILES:
C1(C(=C)C)CCC(C)(Oc2c(O)c(CCCCC)cc(O)c2)C(OC(CCc2ccc(O)cc2)=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.644

CB1 binding score: -15.726

InChIKey:
IVUVQZPSWHGPNT-UHFFFAOYSA-N

ID: 79253

SMILES:
C1=CCC2(O)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.422

InChIKey:
DKGXZWOBXWQNDG-UHFFFAOYSA-N

ID: 79254

SMILES:
C1C(C)(C)C2CC1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.111

InChIKey:
GDSADQGYEIUIIB-UHFFFAOYSA-N

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79234–79254 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties